# CIF generated by HEAS from Alexandria entry agm005994786 data_agm005994786 _cell_length_a 9.50457 _cell_length_b 11.48465 _cell_length_c 11.71776 _cell_angle_alpha 70.62292 _cell_angle_beta 66.07368 _cell_angle_gamma 65.55652 _cell_volume 1043.49969 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti1 Ti 0.00729 0.49282 0.00997 1.00000 Ti2 Ti 0.48991 0.99282 0.50997 1.00000 Cu1 Cu 0.79692 0.55820 0.66429 1.00000 Cu2 Cu 0.98060 0.05820 0.16429 1.00000 Cu3 Cu 0.01282 0.91996 0.82845 1.00000 Cu4 Cu 0.23877 0.41995 0.32845 1.00000 Cu5 Cu 0.55176 0.29145 0.72503 1.00000 Cu6 Cu 0.43176 0.79145 0.22503 1.00000 I1 I 0.39764 0.18217 0.30512 1.00000 I2 I 0.11508 0.68217 0.80512 1.00000 I3 I 0.31034 0.32518 0.93899 1.00000 I4 I 0.42549 0.82518 0.43899 1.00000 I5 I 0.20092 0.06168 0.69191 1.00000 I6 I 0.04548 0.56168 0.19191 1.00000 I7 I 0.70024 0.68806 0.04711 1.00000 I8 I 0.56459 0.18806 0.54711 1.00000 I9 I 0.83076 0.91519 0.35287 1.00000 I10 I 0.90118 0.41519 0.85286 1.00000 I11 I 0.63282 0.80308 0.68546 1.00000 I12 I 0.87864 0.30308 0.18546 1.00000 I13 I 0.41035 0.55646 0.30982 1.00000 I14 I 0.72338 0.05645 0.80981 1.00000 I15 I 0.66901 0.46922 0.57362 1.00000 I16 I 0.28816 0.96922 0.07362 1.00000 I17 I 0.84535 0.99403 0.04523 1.00000 I18 I 0.11540 0.49403 0.54523 1.00000